2,3-dicyano-N-cyclohexyl-5,7,7-trimethyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide | 1023300-59-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮卓类
• 英文名称: 2,3-dicyano-N-cyclohexyl-5,7,7-trimethyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
• 英文别名: 2,3-dicyano-N-cyclohexyl-5,7,7-trimethyl-4,5,6,7-tetrahydro-1h-1,4-diazepine-5-carboxamide；2,3-dicyano-N-cyclohexyl-5,7,7-trimethyl-4,6-dihydro-1H-1,4-diazepine-5-carboxamide
• CAS: 1023300-59-5
• 化学式: C₁₇H₂₅N₅O
• 分子量: 315.418
• InChiKey: UOALHJBYUMABPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3-dicyano-N-cyclohexyl-5,7,7-trimethyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide 在 吡啶 、 五氯化磷 、 叠氮基三甲基硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 以65%的产率得到5-(1-cyclohexyl-1H-tetrazol-5-yl)-4,5,6,7-tetrahydro-5,7,7-trimethyl-1H-1,4-diazepine-2,3 dicarbonitrile
  参考文献：
  名称：

  1H-四唑-1H-1,4-苄腈和1H-四唑-苯并[b] [1,4]二氮杂卓的两步合成

  摘要：

  已经开发了标题为杂二氮杂二氮杂的两步合成方案。该方法包括在二胺，酮，异氰化物和三甲基甲硅烷基叠氮化物之间进行基于假五组分异氰化物的缩合反应，并且收率很高。 二氮杂-四唑-多组分反应-异氰化物

  DOI：

  10.1055/s-0031-1290603
• 作为产物：
  描述：

  异氰环已烷 、 丙酮 、 二氨基马来腈 在 Fe3O4/SiO2 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以97%的产率得到2,3-dicyano-N-cyclohexyl-5,7,7-trimethyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
  参考文献：
  名称：

  Fe 3 O 4 / SiO 2纳米颗粒：一种高效，可磁回收的纳米催化剂，用于一锅多组分合成二氮杂s

  摘要：

  在这项研究中，在催化量的二氧化硅负载的氧化铁（Fe 3描述了在室温下具有优异产率的O 4 / SiO 2）纳米颗粒。

  DOI：

  10.1016/j.tet.2012.07.034

文献信息

• A Novel One-Pot Pseudo-Five-Component Synthesis of 4,5,6,7-Tetrahydro-1<i>H</i>-1,4-diazepine-5-carboxamide Derivatives
  作者：Ahmad Shaabani、Ali Maleki、Hamid Mofakham、Jafar Moghimi-Rad

  DOI：10.1021/jo8002612

  日期：2008.5.1

  A novel one-pot pseudo-five-component synthesis of 4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide derivatives starting from simple and readily available inputs including 2,3-diaminomaleonitrile, a cyclic or acyclic ketone, an isocyanide, and water in the presence of a catalytic amount of p-toluenesulfonic acid in aqueous medium at ambient temperature in high yields is described.
• Wool-SO3H and nano-Fe3O4@wool as two green and natural-based renewable catalysts in one-pot isocyanide-based multicomponent reactions
  作者：Ahmad Shaabani、Zeinab Hezarkhani、Mohammad Tayeb Faroghi

  DOI：10.1007/s00706-016-1717-7

  日期：2016.11

  Natural wool sulfonic acid (wool-SO3H) and wool-supported Fe3O4 nanoparticles (nano-Fe3O4@wool) with highly loaded Fe3O4 nanoparticles were simply synthesized and characterized by flame atomic absorption spectroscopy, X-ray diffraction, thermogravimetric analysis, and scanning electron microscopy. The successful synthesis of 3,4-dihydroquinoxalin-2-amine, 1,6-dihydropyrazine-2,3-dicarbonitrile, (cyanophenylamino)acetamide, tetrahydro-1H-1,5-benzodiazepine-2-carboxamide, and 4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide derivatives shows that wool-SO3H and Fe3O4@wool nanocomposite have high catalytic activity and can be repetitively used as two biodegradable catalysts.
• A Two-Step Synthesis of 1H-Tetrazolyl-1H-1,4-benzonitriles and 1H-Tetrazolyl-benzo[b][1,4]diazepines
  作者：Ahmad Shaabani、Hamid Mofakham、Sajjad Mousavifaraz

  DOI：10.1055/s-0031-1290603

  日期：2012.3

  title heteroannulated diazepines has been developed. The approach includes a pseudo five-component isocyanide-based condensation reaction between diamines, ketones, isocyanides and trimethylsilyl azide and proceeds in good yields. diazepine - tetrazole - multicomponent reactions - iso­cyanide

  已经开发了标题为杂二氮杂二氮杂的两步合成方案。该方法包括在二胺，酮，异氰化物和三甲基甲硅烷基叠氮化物之间进行基于假五组分异氰化物的缩合反应，并且收率很高。 二氮杂-四唑-多组分反应-异氰化物
• Fe3O4/SiO2 nanoparticles: an efficient and magnetically recoverable nanocatalyst for the one-pot multicomponent synthesis of diazepines
  作者：Ali Maleki

  DOI：10.1016/j.tet.2012.07.034

  日期：2012.9

  In this research, a new protocol for the one-pot multicomponent synthesis of diazepine derivatives using a 1,2-diamine, a linear or cyclic ketone, and an isocyanide in the presence of a catalytic amount of silica-supported iron oxide (Fe3O4/SiO2) nanoparticles at ambient temperature in excellent yields is described.

  在这项研究中，在催化量的二氧化硅负载的氧化铁（Fe 3描述了在室温下具有优异产率的O 4 / SiO 2）纳米颗粒。